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PubMed code 10636248

Compile data set for download or QSAR
Found 7 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))
BDBM50073922
PNG
(CHEMBL86313 | {(S)-1-[(7-Bromo-2,3-dioxo-1,2,3,4-t...)
Show SMILES C[C@@H](NCc1cc(Br)cc2[nH]c(=O)c(=O)[nH]c12)P(O)(O)=O
Show InChI InChI=1S/C11H13BrN3O5P/c1-5(21(18,19)20)13-4-6-2-7(12)3-8-9(6)15-11(17)10(16)14-8/h2-3,5,13H,4H2,1H3,(H,14,16)(H,15,17)(H2,18,19,20)/t5-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



University Hospital Zurich

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity for the glycine binding site on N-methyl-D-aspartate glutamate receptor by using [3H]-MDL-105,519 bin...


Bioorg Med Chem Lett 10: 75-8 (2000)


BindingDB Entry DOI: 10.7270/Q2M907WV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))
BDBM50084064
PNG
(CHEMBL167952 | {(S)-1-[(7-Chloro-2,3-dioxo-1,2,3,4...)
Show SMILES C[C@@H](NCc1cc(Cl)cc2[nH]c(=O)c(=O)[nH]c12)P(O)(O)=O
Show InChI InChI=1S/C11H13ClN3O5P/c1-5(21(18,19)20)13-4-6-2-7(12)3-8-9(6)15-11(17)10(16)14-8/h2-3,5,13H,4H2,1H3,(H,14,16)(H,15,17)(H2,18,19,20)/t5-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



University Hospital Zurich

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity for the glycine binding site on N-methyl-D-aspartate glutamate receptor by using [3H]-MDL-105,519 bin...


Bioorg Med Chem Lett 10: 75-8 (2000)


BindingDB Entry DOI: 10.7270/Q2M907WV
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))
BDBM50073930
PNG
(CHEMBL82963 | {(S)-1-[(2,3-Dioxo-7-trifluoromethyl...)
Show SMILES C[C@@H](NCc1cc(cc2[nH]c(=O)c(=O)[nH]c12)C(F)(F)F)P(O)(O)=O
Show InChI InChI=1S/C12H13F3N3O5P/c1-5(24(21,22)23)16-4-6-2-7(12(13,14)15)3-8-9(6)18-11(20)10(19)17-8/h2-3,5,16H,4H2,1H3,(H,17,19)(H,18,20)(H2,21,22,23)/t5-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



University Hospital Zurich

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity for the glycine binding site on N-methyl-D-aspartate glutamate receptor by using [3H]-MDL-105,519 bin...


Bioorg Med Chem Lett 10: 75-8 (2000)


BindingDB Entry DOI: 10.7270/Q2M907WV
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))
BDBM50084062
PNG
(CHEMBL354295 | {(S)-1-[(7-Iodo-2,3-dioxo-1,2,3,4-t...)
Show SMILES C[C@@H](NCc1cc(I)cc2[nH]c(=O)c(=O)[nH]c12)P(O)(O)=O
Show InChI InChI=1S/C11H13IN3O5P/c1-5(21(18,19)20)13-4-6-2-7(12)3-8-9(6)15-11(17)10(16)14-8/h2-3,5,13H,4H2,1H3,(H,14,16)(H,15,17)(H2,18,19,20)/t5-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



University Hospital Zurich

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity for the glycine binding site on N-methyl-D-aspartate glutamate receptor by using [3H]-MDL-105,519 bin...


Bioorg Med Chem Lett 10: 75-8 (2000)


BindingDB Entry DOI: 10.7270/Q2M907WV
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))
BDBM50084063
PNG
(CHEMBL162675 | {(S)-1-[(7-Fluoro-2,3-dioxo-1,2,3,4...)
Show SMILES C[C@@H](NCc1cc(F)cc2[nH]c(=O)c(=O)[nH]c12)P(O)(O)=O
Show InChI InChI=1S/C11H13FN3O5P/c1-5(21(18,19)20)13-4-6-2-7(12)3-8-9(6)15-11(17)10(16)14-8/h2-3,5,13H,4H2,1H3,(H,14,16)(H,15,17)(H2,18,19,20)/t5-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



University Hospital Zurich

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity for the glycine binding site on N-methyl-D-aspartate glutamate receptor by using [3H]-MDL-105,519 bin...


Bioorg Med Chem Lett 10: 75-8 (2000)


BindingDB Entry DOI: 10.7270/Q2M907WV
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))
BDBM50073950
PNG
(CHEMBL82626 | {(S)-1-[(7-Nitro-2,3-dioxo-1,2,3,4-t...)
Show SMILES C[C@@H](NCc1cc(cc2[n-]c(=[OH+])c(=O)[nH]c12)[N+]([O-])=O)[P+](O)(O)[O-]
Show InChI InChI=1S/C11H13N4O7P/c1-5(23(20,21)22)12-4-6-2-7(15(18)19)3-8-9(6)14-11(17)10(16)13-8/h2-3,5,12H,4H2,1H3,(H4,13,14,16,17,20,21,22)/t5-/m0/s1
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n/an/a 32n/an/an/an/an/an/a



University Hospital Zurich

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity for the glycine binding site on N-methyl-D-aspartate glutamate receptor by using [3H]-MDL-105,519 bin...


Bioorg Med Chem Lett 10: 75-8 (2000)


BindingDB Entry DOI: 10.7270/Q2M907WV
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))
BDBM50084065
PNG
(CHEMBL164231 | {(S)-1-[(7-Cyano-2,3-dioxo-1,2,3,4-...)
Show SMILES C[C@@H](NCc1cc(cc2[nH]c(=O)c(=O)[nH]c12)C#N)P(O)(O)=O
Show InChI InChI=1S/C12H13N4O5P/c1-6(22(19,20)21)14-5-8-2-7(4-13)3-9-10(8)16-12(18)11(17)15-9/h2-3,6,14H,5H2,1H3,(H,15,17)(H,16,18)(H2,19,20,21)/t6-/m0/s1
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n/an/a 76n/an/an/an/an/an/a



University Hospital Zurich

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity for the glycine binding site on N-methyl-D-aspartate glutamate receptor by using [3H]-MDL-105,519 bin...


Bioorg Med Chem Lett 10: 75-8 (2000)


BindingDB Entry DOI: 10.7270/Q2M907WV
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%